N,N,20-triphenyl-8,24-bis(3-phenylphenyl)-8,24-diaza-1-borahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,9(25),10,12,14,16,18(23),19,21-undecaen-5-amine

C64H44BN3 — CID 174125997

About N,N,20-triphenyl-8,24-bis(3-phenylphenyl)-8,24-diaza-1-borahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,9(25),10,12,14,16,18(23),19,21-undecaen-5-amine

N,N,20-triphenyl-8,24-bis(3-phenylphenyl)-8,24-diaza-1-borahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,9(25),10,12,14,16,18(23),19,21-undecaen-5-amine (PubChem CID 174125997) has the molecular formula C64H44BN3 and a molecular weight of 865.89 g/mol. Its IUPAC name is N,N,20-triphenyl-8,24-bis(3-phenylphenyl)-8,24-diaza-1-borahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,9(25),10,12,14,16,18(23),19,21-undecaen-5-amine.

Molecular Properties

• Compound Name: N,N,20-triphenyl-8,24-bis(3-phenylphenyl)-8,24-diaza-1-borahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,9(25),10,12,14,16,18(23),19,21-undecaen-5-amine
• PubChem CID: 174125997
• Molecular Formula: C64H44BN3
• Molecular Weight: 865.89 g/mol
• Exact Mass: 865.36
• IUPAC Name: N,N,20-triphenyl-8,24-bis(3-phenylphenyl)-8,24-diaza-1-borahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,9(25),10,12,14,16,18(23),19,21-undecaen-5-amine
• SMILES: c1ccc(-c2cccc(N3B4c5ccc(N(c6ccccc6)c6ccccc6)cc5N(c5cccc(-c6ccccc6)c5)c5c4c(cc4ccccc54)-c4cc(-c5ccccc5)ccc43)c2)cc1
• InChI: InChI=1S/C64H44BN3/c1-6-20-45(21-7-1)48-27-18-33-54(40-48)67-62-44-55(66(52-29-12-4-13-30-52)53-31-14-5-15-32-53)37-38-60(62)65-63-59(43-51-26-16-17-35-57(51)64(63)67)58-42-50(47-24-10-3-11-25-47)36-39-61(58)68(65)56-34-19-28-49(41-56)46-22-8-2-9-23-46/h1-44H
• InChIKey: PWQHGCCYMXSAAM-UHFFFAOYSA-N
• XLogP: 16.02
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	865.89
LogP ≤ 5	16.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N,20-triphenyl-8,24-bis(3-phenylphenyl)-8,24-diaza-1-borahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,9(25),10,12,14,16,18(23),19,21-undecaen-5-amine?

The IUPAC name of N,N,20-triphenyl-8,24-bis(3-phenylphenyl)-8,24-diaza-1-borahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,9(25),10,12,14,16,18(23),19,21-undecaen-5-amine (CID 174125997) is N,N,20-triphenyl-8,24-bis(3-phenylphenyl)-8,24-diaza-1-borahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,9(25),10,12,14,16,18(23),19,21-undecaen-5-amine.

What is the SMILES notation for N,N,20-triphenyl-8,24-bis(3-phenylphenyl)-8,24-diaza-1-borahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,9(25),10,12,14,16,18(23),19,21-undecaen-5-amine?

The canonical SMILES for N,N,20-triphenyl-8,24-bis(3-phenylphenyl)-8,24-diaza-1-borahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,9(25),10,12,14,16,18(23),19,21-undecaen-5-amine is c1ccc(-c2cccc(N3B4c5ccc(N(c6ccccc6)c6ccccc6)cc5N(c5cccc(-c6ccccc6)c5)c5c4c(cc4ccccc54)-c4cc(-c5ccccc5)ccc43)c2)cc1.

What is the InChIKey of N,N,20-triphenyl-8,24-bis(3-phenylphenyl)-8,24-diaza-1-borahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,9(25),10,12,14,16,18(23),19,21-undecaen-5-amine?

The InChIKey is PWQHGCCYMXSAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44BN3/c1-6-20-45(21-7-1)48-27-18-33-54(40-48)67-62-44-55(66(52-29-12-4-13-30-52)53-31-14-5-15-32-53)37-38-60(62)65-63-59(43-51-26-16-17-35-57(51)64(63)67)58-42-50(47-24-10-3-11-25-47)36-39-61(58)68(65)56-34-19-28-49(41-56)46-22-8-2-9-23-46/h1-44H.

What are the key properties of N,N,20-triphenyl-8,24-bis(3-phenylphenyl)-8,24-diaza-1-borahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,9(25),10,12,14,16,18(23),19,21-undecaen-5-amine?

N,N,20-triphenyl-8,24-bis(3-phenylphenyl)-8,24-diaza-1-borahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,9(25),10,12,14,16,18(23),19,21-undecaen-5-amine has a molecular weight of 865.89 g/mol, XLogP of 16.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N,N,20-triphenyl-8,24-bis(3-phenylphenyl)-8,24-diaza-1-borahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,9(25),10,12,14,16,18(23),19,21-undecaen-5-amine is sourced from PubChem (CID 174125997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).